Alternatively, the L2 cysteines could be bonded to small molecules like glutathione or free cysteine as mixed disulfides or bound to nitric oxide (NO) as an S-NO group.
Due to the rigidity of Λ,Λ-B, the adaptability to form hydrogen bonds is strongly reduced compared to small molecules or proteins.
Signaling molecules for communication between artificial cell-mimics have so far been limited to small molecules.
Also, the endothermic heat flows led to the association of some chemical bonds to form small molecules such as CO, CO2, NH3, etc. [20, 21, 25, 58].
In general, a native or engineered cysteine residue near or at the active site of an enzyme can "hook" (covalently bond to) a small molecule that binds, even loosely, at the active site, as long as that molecule carries a sulfhydryl moiety [19] or a leaving group that is vulnerable to the attack by the thiol group [20].
In contrast to small-molecule inhibitors with few rotational bonds, conventional docking and scoring of protein-based inhibitors and their receptors have markedly lower rates of success [32].
Surface functionalization includes partial plasma etching [34, 35], surface absorbates [36], and covalent bonding with small molecules [37, 38].
Froeyen and Herdewijn proposed a procedure to assign double and triple bonds in small molecules from simple PDB files; the method uses sigma bonds connectivity and atom symbols as the input, and then assigns double and triple bonds by translating the octet equations into an integer liner program [8].
In view of the amorphous nature of Aβ species, it is difficult to assert an exact binding pocket, but studies with Congo Red and Thioflavin T indicate π-bond rich, small molecules bind in grooves of β-sheets characteristic to Aβ fibrils.
It has been proposed that such electric fields may weaken chemical bonds in small molecules and, therefore, facilitate chemical reactions between them.
